SCHEMBL10697564

SCHEMBL10697564

CC1CCC(=O)C1c1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 2/20 0.40
ACHE P22303 1/20 0.40
HSD11B1 P28845 8/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.34
LIPE Q05469 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGER3 P43115 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11304329 0.80 MAPT (0.43) ACHEDDB1CRBNSLC6A2SLC6A4
SCHEMBL10726551 0.78 SMN1; SMN2 (0.42) DDB1CRBNGAA
SCHEMBL8327879 0.78 SMN1; SMN2 (0.42) DDB1CRBNGAA
SCHEMBL10298928 0.78 TSHR (0.46) PTGER2ACHEHSD11B1DDB1CRBN
SCHEMBL9941228 0.76 PTGER2 (0.44) PTGER2HSD11B1DDB1CRBNSLC6A2
SCHEMBL10006223 0.71 PTGER2 (0.40) PTGER2HSD11B1SLC6A2TP53PTGER3
SCHEMBL9939438 0.70 PTGER2 (0.47) PTGER2SLC6A2GAA
SCHEMBL4607515 0.70 SLC6A2 (0.41) PTGER2ACHEDDB1CRBNSLC6A2
SCHEMBL9308995 0.69 ESR2 (0.58) PTGER2ACHEDDB1CRBNSLC6A2
SCHEMBL22201150 0.69 DDB1 (0.47) PTGER2HSD11B1DDB1CRBNSLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259977-A2 Tertiary amine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-16 EP disclosed